Chemical Properties of 5,6-Dihydro-5-methyluracil (CAS 696-04-8)

InChI

InChI=1S/C5H8N2O2/c1-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9)

InChI Key

NBAKTGXDIBVZOO-UHFFFAOYSA-N

Formula

C5H8N2O2

SMILES

CC1CNC(=O)NC1=O

Molecular Weight¹

128.13

CAS

696-04-8

Other Names

• 5,6-Dihydro-2,4-dihydroxy-5-methylpyrimidine
• Dihydrothymine
• 2,4(1H,3H)-Pyrimidinedione, dihydro-5-methyl-
• Hydrouracil, 5-methyl-
• 5-Methyl-5,6-dihydrouracil
• 5,6-Dihydrothymine

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5061		Relay (1.0) Calculated Property
ΔfG°	-54.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-381.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.74	kJ/mol	Joback Calculated Property
ΔvapH°	79.64	kJ/mol	Relay (1.0) Calculated Property
IE	9.41	eV	Relay (1.0) Calculated Property
log10WS	-0.43		Relay (1.0) Calculated Property
logPoct/wat	-0.538		Crippen Calculated Property
McVol	93.550	ml/mol	McGowan Calculated Property
Pc	5304.68	kPa	Joback Calculated Property
Inp	[1523.80; 1523.80]
Inp	1523.80		NIST
Inp	1523.80		NIST
Tboil	545.30	K	Relay (1.0) Calculated Property
Tc	780.26	K	Relay (1.0) Calculated Property
Tfus	429.84	K	Relay (1.0) Calculated Property
Vc	0.332	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[221.19; 295.01]	J/mol×K	[566.09; 826.71]
Cp,gas	221.19	J/mol×K	566.09	Joback Calculated Property
Cp,gas	235.27	J/mol×K	609.53	Joback Calculated Property
Cp,gas	248.80	J/mol×K	652.96	Joback Calculated Property
Cp,gas	261.65	J/mol×K	696.40	Joback Calculated Property
Cp,gas	273.71	J/mol×K	739.84	Joback Calculated Property
Cp,gas	284.87	J/mol×K	783.28	Joback Calculated Property
Cp,gas	295.01	J/mol×K	826.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5,6-Dihydro-5-methyluracil.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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